Geometry & MOs

Info

ID:

112518

PubChem CID:

50409949

Reduced:

O4N5C30H41 (1)

Stoich.:

A4B5C30D41 (1)

Weight, g/mol:

672.343547

ΔHf, kcal/mol:

-169.25

Dipole, Da:

7.34

IP(EA), eV:

 -8.67(-0.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[3-[(4-fluorophenyl)methylcarbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-N-[3-methyl-1-[3-(methylcarbamoyl)anilino]-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(=O)NC1=CC=C(C=C1)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC=CC(=C3C)C(=O)N(CC)CC

DOS

IR

Vibrations